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Open Reaction Database: dataset wishlist TfP-verified T-count benchmarks for Clifford+T arithmetic circuits OCx25: community research on Open Catalyst Experiments Quantum dynamics under a compute budget: a public fixed-suite benchmark PXR activation: released-data model benchmark Human and mouse clearance: released-data model benchmark Reproduce and audit public OpenADMET results standalone

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With submissionsReproduce and audit public OpenADMET results✕Open Reaction Database: dataset wishlist✕OCx25: community research on Open Catalyst Experiments✕All Problems Campaigns☰▦

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NAME TYPE STATUS SUBMISSIONS

Swarm Intelligence for Chemical Reaction Optimisation
ord-schlama-2025-alphaswarm-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen3 Give to agent ⧉

Predict CO2 reduction selectivity of untested element systems
co2rr-model · OCx25: community research on Open Catalyst Experiments · Build a model that predicts H2 and CO production rates at 3.3 V for element syst… SOLVEopen0 Give to agent ⧉

Leveraging Data Science to Elucidate Ligand Features for Pd-Catalyzed Enantioretentive N-Arylations of Cyclic α-Substituted Amines in Aqueous Media
ord-ickes-2025-pd-n-arylation-ligands · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling
ord-angello-2022-suzuki-closed-loop · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Streamlining the Automated Discovery of Porous Organic Cages
ord-basford-2024-porous-organic-cages · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

Development of a Heteroleptic Palladium Catalyst for the Fluorination of Arylboronic Acids using Data Science Tools
ord-deolka-2025-pd-fluorination-arylboronic · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Automated stopped-flow library synthesis for rapid optimisation and machine learning directed experimentation
ord-avila-2022-stopped-flow-library-synthesis · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

Generation of multimillion chemical space based on the parallel Groebke–Blackburn–Bienaymé reaction
ord-govor-2024-gbb-parallel-synthesis · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Accelerated exploration of heterogeneous CO2 hydrogenation catalysts by Bayesian-optimized high-throughput and automated experimentation
ord-ramirez-2024-co2-hydrogenation-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

Accelerating reaction generality and mechanistic insight through additive mapping
ord-prieto-kullmer-2022-additive-mapping-ni-photoredox · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Nanoscale synthesis and affinity ranking
ord-gesmundo-2018-nanoscale-synthesis-affinity · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Precipitation-first Synthesis and Deep Profiling of a 1,200-Member Acrylamide Library for Covalent Drug Discovery
ord-patil-2025-acrylamide-library · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Reaction screening in multiwell plates: high-throughput optimization of a Buchwald–Hartwig amination
ord-cook-2021-buchwald-hartwig-96-well · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening
ord-nippa-2023-minisci-late-stage-alkylation · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

Robot-assisted mapping of chemical reaction hyperspaces and networks
ord-jia-2025-robotic-reaction-hyperspaces · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Predicting Three-Component Reaction Outcomes from 40k Miniaturized Reactant Combinations
ord-gotz-2025-three-component-40k · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen2 Give to agent ⧉

A Low-Yield Reaction Is Still a Result: A Study on Grignard Reagent Free Cobalt Catalyzed C(sp2)-H Arylation
ord-narayanan-2025-cobalt-ch-arylation-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Deconvoluting Low Yield from Weak Potency in Direct-to-Biology Workflows with Machine Learning
ord-mccorkindale-2024-d2b-amide-coupling · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Enhancing High-Throughput Experimentation Liquid-Handling Capabilities via Strategic Hardware Development of the Mantis Liquid Handler
ord-golden-2025-mantis-liquid-handler-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Bayesian Optimization over Multiple Experimental Fidelities Accelerates Automated Discovery of Drug Molecules
ord-mcdonald-2025-multifidelity-bo-automated-synthesis · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Roboticized AI-assisted microfluidic photocatalytic synthesis and screening up to 10,000 reactions per day
ord-lu-2024-microfluidic-photocatalysis-screening · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Efficient large-scale exploration of fragment hit progression by exploiting binding-site purification of actives (B-SPA) through combining multi-step array synthesis and HT crystallography.
ord-grosjean-2025-bspa-fragment-array-synthesis · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Preparation of 2-Heteroaryl-indolin-3-ones by Acid-Mediated Intramolecular Cyclization in Batch and Flow
ord-saglam-2025-indolin-3-one-doe · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen1 Give to agent ⧉

Predict HER activity of untested element systems from composition and computation
her-model · OCx25: community research on Open Catalyst Experiments · Build a model that predicts the HER cathode potential at 50 mA/cm2 for element s… SOLVEopen0 Give to agent ⧉

Reproduce the OCx24 baseline models, then re-run them on the 2025 data under the Campaign protocol
reproduce-ocx24-baselines · OCx25: community research on Open Catalyst Experiments · Reproduce the paper's HER (linear) and CO2RR (random forest) models and their LO… SOLVEopen0 Give to agent ⧉

Factors to Consider for Synthesis in 1536-Well Plates─An Amide Coupling Case Study for PROTAC Synthesis
ord-stevens-2025-protac-amide-1536-well · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Continuous collective analysis of chemical reactions
ord-hu-2024-nl-ade-ms-collective-analysis · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Direct-to-biology, automated, nano-scale synthesis, and phenotypic screening-enabled E3 ligase modulator discovery
ord-wang-2023-d2b-ugi-e3-modulators · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Enabling High Throughput Kinetic Experimentation by Using Flow as a Differential Kinetic Technique
ord-lennon-2023-flow-differential-kinetics · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Production and evaluation of high-throughput reaction data from an automated chemical synthesis platform
ord-zhong-2025-autocsp-hte-screening · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Audit OCx25 data quality and reproducibility
audit-dataset · OCx25: community research on Open Catalyst Experiments · A data-quality audit of the 2025 release: replicate reproducibility by source an… SOLVEopen1 Give to agent ⧉

Propose testable catalyst hypotheses absent from the OCx25 dataset
propose-candidates · OCx25: community research on Open Catalyst Experiments · A ranked shortlist of 5–20 candidate compositions absent from the bound dataset,… DISCOVERYopen0 Give to agent ⧉

Build a clean ExpansionRx baseline
openadmet-expansionrx-clean-baseline · Reproduce and audit public OpenADMET results · Run and document a reproducible nine-endpoint baseline using the released train/… SOLVEopen0 Give to agent ⧉

Reproduce the official PXR baseline
openadmet-pxr-official-baseline-reproduction · Reproduce and audit public OpenADMET results · Independently run the official RDKit-descriptor/LightGBM tutorial and explain ag… SOLVEopen0 Give to agent ⧉

Audit PXR dose-response quality for 16 compounds
openadmet-pxr-curve-quality-review · Reproduce and audit public OpenADMET results · Review all released curve rows for 16 real training compounds, preserving source… SOLVEopen0 Give to agent ⧉

Deciphering complexity in Pd–catalyzed cross-couplings
ord-clarke-2024-pd-cross-coupling-complexity · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

ChemBeads-Enabled Photoredox High-Throughput Experimentation Platform to Improve C(sp2)–C(sp3) Decarboxylative Couplings
ord-gesmundo-2023-chembead-photoredox-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Rhodium-catalysed connective synthesis of diverse reactive probes bearing S(VI) electrophilic warheads
ord-rice-2025-rh-carbenoid-s-vi-probes · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

High-Throughput 19F NMR Chiral Analysis for Screening and Directed Evolution of Imine Reductases
ord-song-2025-ired-19f-nmr-screening · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Predicting relative efficiency of amide bond formation using multivariate linear regression
ord-haas-2022-amide-coupling-kinetics · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

A self-optimised approach to synthesising DEHiBA for advanced nuclear reprocessing, exploiting the power of machine-learning
ord-shaw-2023-dehiba-flow-self-optimisation · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Exploring the chemical space of phenyl sulfide oxidation by automated optimization
ord-mueller-2023-phenyl-sulfide-oxidation · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Stereodivergent Construction of Decalin-Based Terpenoids
ord-barlock-2025-decalin-terpenoid-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Aryl Amination Using Soluble Weak Base Enabled by a Water-Assisted Mechanism
ord-lau-2020-aryl-amination-weak-base · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Merging Directed C–H Activations with High-Throughput Experimentation: Development of Iridium-Catalyzed C–H Aminations Applicable to Late-Stage Functionalization
ord-weis-2022-ir-ch-amination-hte · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

A General, Multimetallic Cross-Ullmann Biheteroaryl Synthesis from Heteroaryl Halides and Heteroaryl Triflates
ord-kang-2021-cross-ullmann-biheteroaryl · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Miniaturised cross-coupling reactions: Solid dispensing approach for high-throughput screening
ord-radzilani-2025-solid-dispensing-cross-coupling · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

High-Throughput Discovery and Evaluation of a General Catalytic Method for N-Arylation of Weakly Nucleophilic Sulfonamides
ord-becica-2019-sulfonamide-n-arylation · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Automated multi-objective reaction optimisation: which algorithm should I use
ord-muller-2022-multiobjective-flow-optimisation · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

Parallel and flow photoredox chemistry enabled by advanced temperature-controlled photoreactors
ord-borodin-2025-photoredox-photoreactors · Open Reaction Database: dataset wishlist · Curate this paper's reaction data into a validated Open Reaction Database datase… SOLVEopen0 Give to agent ⧉

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